tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate

C14H22F4O6 — CID 58361973

IUPACtert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate
SMILESCC(C)(C)OC(=O)OCC(F)(F)C(F)(F)COC(=O)OC(C)(C)C
InChIInChI=1S/C14H22F4O6/c1-11(2,3)23-9(19)21-7-13(15,16)14(17,18)8-22-10(20)24-12(4,5)6/h7-8H2,1-6H3
InChIKeyNLEXXOXXILNCLL-UHFFFAOYSA-N
MW362.32 g/mol
LogP4.16
Rot. Bonds5

About tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate

tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate (PubChem CID 58361973) has the molecular formula C14H22F4O6 and a molecular weight of 362.32 g/mol. Its IUPAC name is tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate.

Molecular Properties

Compound Nametert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate
PubChem CID58361973
Molecular FormulaC14H22F4O6
Molecular Weight362.32 g/mol
Exact Mass362.14
IUPAC Nametert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate
SMILESCC(C)(C)OC(=O)OCC(F)(F)C(F)(F)COC(=O)OC(C)(C)C
InChIInChI=1S/C14H22F4O6/c1-11(2,3)23-9(19)21-7-13(15,16)14(17,18)8-22-10(20)24-12(4,5)6/h7-8H2,1-6H3
InChIKeyNLEXXOXXILNCLL-UHFFFAOYSA-N
XLogP4.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate?
The IUPAC name of tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate (CID 58361973) is tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate.
What is the SMILES notation for tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate?
The canonical SMILES for tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate is CC(C)(C)OC(=O)OCC(F)(F)C(F)(F)COC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate?
The InChIKey is NLEXXOXXILNCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O6/c1-11(2,3)23-9(19)21-7-13(15,16)14(17,18)8-22-10(20)24-12(4,5)6/h7-8H2,1-6H3.
What are the key properties of tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate?
tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate has a molecular weight of 362.32 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate is sourced from PubChem (CID 58361973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).